Found 84 results

Search term: MF = 'C_{21}H_{16}ClF_{3}N_{4}O_{2}S'
ChemSpider 2D Image | 1-[3-(4-Chlorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-1-propanone | C21H16ClF3N4O2S

1-[3-(4-Chlorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-1-propanone

  • Molecular FormulaC21H16ClF3N4O2S
  • Average mass480.891 Da
  • Monoisotopic mass480.063446 Da
  • ChemSpider ID31959069

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[3-(4-Chlorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-1-propanone [ACD/IUPAC Name]
1-[3-(4-Chlorophényl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}-1-propanone [French] [ACD/IUPAC Name]
1-[3-(4-Chlorphenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(trifluormethyl)-2-pyrimidinyl]sulfanyl}-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[3-(4-chlorophenyl)-5-(2-furanyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 559.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 516.55
ACD/KOC (pH 5.5): 3045.43
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 516.55
ACD/KOC (pH 7.4): 3045.43
Polar Surface Area: 97 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 322.0±7.0 cm3

Click to predict properties on the Chemicalize site


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